Chemical Properties of Glutaric acid, 3,4-difluorobenzyl pentyl ester

InChI

InChI=1S/C17H22F2O4/c1-2-3-4-10-22-16(20)6-5-7-17(21)23-12-13-8-9-14(18)15(19)11-13/h8-9,11H,2-7,10,12H2,1H3

InChI Key

OBWTXZOMBKOSQL-UHFFFAOYSA-N

Formula

C17H22F2O4

SMILES

CCCCCOC(=O)CCCC(=O)OCc1ccc(F)c(F)c1

Molecular Weight¹

328.35

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-672.05	kJ/mol	Joback Calculated Property
ΔfH°gas	-1062.44	kJ/mol	Joback Calculated Property
ΔfusH°	44.78	kJ/mol	Joback Calculated Property
ΔvapH°	73.71	kJ/mol	Joback Calculated Property
log10WS	-4.93		Crippen Calculated Property
logPoct/wat	3.912		Crippen Calculated Property
McVol	245.050	ml/mol	McGowan Calculated Property
Pc	1541.49	kPa	Joback Calculated Property
Inp	[2360.00; 2360.00]
Inp	2360.00		NIST
Inp	2360.00		NIST
Tboil	776.12	K	Joback Calculated Property
Tc	966.64	K	Joback Calculated Property
Tfus	478.31	K	Joback Calculated Property
Vc	0.964	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[718.85; 791.47]	J/mol×K	[776.12; 966.64]
Cp,gas	718.85	J/mol×K	776.12	Joback Calculated Property
Cp,gas	733.19	J/mol×K	807.87	Joback Calculated Property
Cp,gas	746.62	J/mol×K	839.63	Joback Calculated Property
Cp,gas	759.15	J/mol×K	871.38	Joback Calculated Property
Cp,gas	770.80	J/mol×K	903.13	Joback Calculated Property
Cp,gas	781.57	J/mol×K	934.89	Joback Calculated Property
Cp,gas	791.47	J/mol×K	966.64	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 3,4-difluorobenzyl pentyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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